Codamine cis-N-oxide
TL;DR: Codamine cis-N-oxide (CAS 112468-25-4) is a chemical compound with molecular formula C20H25NO5 and molecular weight 359.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol
Also Known As: Codamine cis-N-oxide, (1S,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol, (1S,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-7-ol, (1S,2R)-1-[(3,4-Dimethoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxo-1,2,3,4-tetrahydro-2lambda~5~-isoquinolin-7-ol, 7-Isoquinolinol, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-methoxy-2-methyl-, 2-oxide, (1S-cis)-
| Molecular Formula | C20H25NO5 |
|---|---|
| Molecular Weight | 359.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.17328 |
| Heavy Atoms | 26 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 112468-25-4 |
|---|---|
| SMILES | C[N@+]1(CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)OC)O)OC)[O-] |
| InChIKey | WYHBVXMHELTJFR-HRAATJIYSA-N |
Product Overview
Codamine cis-N-oxide (CAS 112468-25-4), with molecular formula C20H25NO5 and molecular weight 359.17 g/mol. IUPAC: (1S,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol.
Chemical Property Profile of Codamine cis-N-oxide
Property Insights of Codamine cis-N-oxide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Codamine cis-N-oxide. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Codamine cis-N-oxide. Following Lipinski's Rule of Five, Codamine cis-N-oxide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Codamine cis-N-oxide?
The CAS number of Codamine cis-N-oxide is 112468-25-4.
What is the molecular formula of Codamine cis-N-oxide?
The molecular formula of Codamine cis-N-oxide is C20H25NO5.
What is the molecular weight of Codamine cis-N-oxide?
The molecular weight of Codamine cis-N-oxide is 359.17 g/mol.
Where can I buy Codamine cis-N-oxide?
You can request a quote for Codamine cis-N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Codamine cis-N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Codamine cis-N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.